| SpectraBase Compound ID | 20BE1JaNGWH |
|---|---|
| InChI | InChI=1S/C8H6F6O4/c9-7(10,11)3-17-5(15)1-2-6(16)18-4-8(12,13)14/h1-2H,3-4H2/b2-1+ |
| InChIKey | KZTDZFZLDVZRCF-OWOJBTEDSA-N |
| Mol Weight | 280.12 g/mol |
| Molecular Formula | C8H6F6O4 |
| Exact Mass | 280.017028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 538xUYpWE2W |
|---|---|
| Name | Fumaric acid, di(2,2,2-trifluoroethyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.017027647 u |
| Formula | C8H6F6O4 |
| InChI | InChI=1S/C8H6F6O4/c9-7(10,11)3-17-5(15)1-2-6(16)18-4-8(12,13)14/h1-2H,3-4H2/b2-1+ |
| InChIKey | KZTDZFZLDVZRCF-OWOJBTEDSA-N |
| Molecular Weight | 280.122 g/mol |
| SMILES | C(OC(\C=C\C(OCC(F)(F)F)=O)=O)C(F)(F)F |